N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine

C12H23N — CID 58450042

IUPACN-(cyclohexylmethyl)-3-methylbut-1-en-2-amine
SMILESC=C(NCC1CCCCC1)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)11(3)13-9-12-7-5-4-6-8-12/h10,12-13H,3-9H2,1-2H3
InChIKeyIUXGXNQILPLQAD-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.33
Rot. Bonds4

About N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine

N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine (PubChem CID 58450042) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methylbut-1-en-2-amine
PubChem CID58450042
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(cyclohexylmethyl)-3-methylbut-1-en-2-amine
SMILESC=C(NCC1CCCCC1)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)11(3)13-9-12-7-5-4-6-8-12/h10,12-13H,3-9H2,1-2H3
InChIKeyIUXGXNQILPLQAD-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine (CID 58450042) is N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine is C=C(NCC1CCCCC1)C(C)C.
What is the InChIKey of N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine?
The InChIKey is IUXGXNQILPLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11(3)13-9-12-7-5-4-6-8-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine?
N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine is sourced from PubChem (CID 58450042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).